(phenylmethyl) 2-[[3-(1,3-benzodioxol-5-yl)-2-ethanoylsulfanyl-2-methyl-propanoyl]amino]propanoate

Systemtic Name: (phenylmethyl) 2-[[3-(1,3-benzodioxol-5-yl)-2-ethanoylsulfanyl-2-methyl-propanoyl]amino]propanoate Openeye Name: benzyl 2-[[2-acetylsulfanyl-3-(1,3-benzodioxol-5-yl)-2-methyl-propanoyl]amino]propanoate CAS Name: 2-[[2-(acetylthio)-3-(1,3-benzodioxol-5-yl)-2-methyl-1-oxopropyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[2-acetylsulfanyl-3-(1,3-benzodioxol-5-yl)-2-methylpropanoyl]amino]propanoate Traditional Name: 2-[[2-(acetylthio)-3-(1,3-benzodioxol-5-yl)-2-methyl-propanoyl]amino]propionic acid benzyl ester Formula: C23H25NO6S MolecularWeight: 443.5127

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC=CC=C1)NC(=O)C(C)(CC2=CC3=C(C=C2)OCO3)SC(=O)C

Isomeric SMILES

CC(C(=O)OCC1=CC=CC=C1)NC(=O)C(C)(CC2=CC3=C(C=C2)OCO3)SC(=O)C

InChI

InChI=1S/C23H25NO6S/c1-15(21(26)28-13-17-7-5-4-6-8-17)24-22(27)23(3,31-16(2)25)12-18-9-10-19-20(11-18)30-14-29-19/h4-11,15H,12-14H2,1-3H3,(H,24,27)